SCHEMBL3516561

SCHEMBL3516561

CN1CCN(Cc2cccc(CNc3cc(=O)n(O)c4ncccc34)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
CHRM3 P20309 2/20 0.41
CHKA P35790 1/20 0.40
PARP1 P09874 1/20 0.39
METAP2 P50579 1/20 0.39
MET P08581 8/20 0.39
KCNH2 Q12809 2/20 0.39
HTR6 P50406 1/20 0.39
GBA1 P04062 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3517673 0.89 PARP1 (0.42) PARP1KDM4E
SCHEMBL3516034 0.89 AURKA (0.43) AURKARPS6KB1PARP1METAP2KDM4E
SCHEMBL3515736 0.80 ACP1 (0.47) PARP1METAP2KDM4EALDH1A1MAPT
SCHEMBL3516223 0.80 BACE1 (0.49) RPS6KB1KDM4ETP53MAPTL3MBTL1
SCHEMBL3520095 0.79 GRM2 (0.51) AURKARPS6KB1ALDH1A1MAPTKMT2A
SCHEMBL3538616 0.77 KMT2A (0.46) RPS6KB1KDM4EMEN1ALDH1A1MAPT
SCHEMBL3519288 0.77 HDAC3 (0.44) KDM4EMAPTSMN1; SMN2L3MBTL1
SCHEMBL3517421 0.77 ADRA2C (0.43) RPS6KB1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL3519313 0.74 NCF1 (0.47) AURKARPS6KB1KDM4EMEN1MAPT
SCHEMBL3517491 0.73 KDM4E (0.51) KCNH2KDM4EMEN1MAPTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL AURKA 2738/4885RPS6KB1 510/4885AURKB 2440/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.